6-formamido-3,3,5,5-tetramethylhexanoic acid

C11H21NO3 — CID 172574666

IUPAC6-formamido-3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(CNC=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-10(2,5-9(14)15)6-11(3,4)7-12-8-13/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyIMCUFCDYDQJLHY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds7

About 6-formamido-3,3,5,5-tetramethylhexanoic acid

6-formamido-3,3,5,5-tetramethylhexanoic acid (PubChem CID 172574666) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 6-formamido-3,3,5,5-tetramethylhexanoic acid.

Molecular Properties

Compound Name6-formamido-3,3,5,5-tetramethylhexanoic acid
PubChem CID172574666
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name6-formamido-3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(CNC=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-10(2,5-9(14)15)6-11(3,4)7-12-8-13/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyIMCUFCDYDQJLHY-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(5-formamido-2,2,4,4-tetramethylpentyl)carbamothioic S-acid
CID 171500142
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
4-(carboxyamino)-3,3-dimethylbutanoic acid
CID 122599753
6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid
CID 59497054
5-(dimethylamino)-3,3,5-trimethylhexanoic acid
CID 123179044
3-formamido-2-methyl-2-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 146503782
2-(2,2,4,4-tetramethylpentylamino)acetic acid
CID 155323369
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
4-amino-3,3-dimethylbutanoic acid
CID 910834
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
5-ethyl-3,3,5-trimethyloctanoic acid
CID 129126671
3,3-dimethylhept-5-enoic acid
CID 91004429

Frequently Asked Questions

What is the IUPAC name of 6-formamido-3,3,5,5-tetramethylhexanoic acid?
The IUPAC name of 6-formamido-3,3,5,5-tetramethylhexanoic acid (CID 172574666) is 6-formamido-3,3,5,5-tetramethylhexanoic acid.
What is the SMILES notation for 6-formamido-3,3,5,5-tetramethylhexanoic acid?
The canonical SMILES for 6-formamido-3,3,5,5-tetramethylhexanoic acid is CC(C)(CNC=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 6-formamido-3,3,5,5-tetramethylhexanoic acid?
The InChIKey is IMCUFCDYDQJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,5-9(14)15)6-11(3,4)7-12-8-13/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 6-formamido-3,3,5,5-tetramethylhexanoic acid?
6-formamido-3,3,5,5-tetramethylhexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formamido-3,3,5,5-tetramethylhexanoic acid is sourced from PubChem (CID 172574666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).